Information card for entry 7124636

Structure parameters

• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• Title of publication: Single-benzene solid emitters with lasing properties based on aggregation-induced emissions.
• Authors of publication: Tang, Baolei; Liu, Huapeng; Li, Feng; Wang, Yue; Zhang, Hongyu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 39
• Pages of publication: 6577 - 6580
• a: 7.4266 ± 0.0015 Å
• b: 11.889 ± 0.002 Å
• c: 13.141 ± 0.003 Å
• α: 90°
• β: 102.2 ± 0.03°
• γ: 90°
• Cell volume: 1134.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No